SCHEMBL29680759

SCHEMBL29680759

O=C1NCC2(CCCN(c3nc(OCC45CCCN4CCC5)nc4c(F)c(-c5cccc6cccc(Cl)c56)ncc34)C2)N1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.68

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24536959 1.00 KRAS (0.68) KRAS
SCHEMBL24536345 0.93 KRAS (0.68) KRAS
SCHEMBL29679992 0.93 KRAS (0.68) KRAS
SCHEMBL29680852 0.93 KRAS (0.69) KRAS
SCHEMBL24536495 0.93 KRAS (0.69) KRAS
SCHEMBL24537297 0.92 KRAS (0.58) KRAS
SCHEMBL29680114 0.91 KRAS (0.70) KRAS
SCHEMBL24535736 0.91 KRAS (0.70) KRAS
SCHEMBL24536502 0.91 KRAS (0.71) KRAS
SCHEMBL29680763 0.91 KRAS (0.71) KRAS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4384177-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2024-06-19 — — EP disclosed
CN-117897159-A Heterocyclic compounds and methods of use 安进公司 2024-04-16 — — CN disclosed
EP-4262807-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2023-10-25 — — EP disclosed
WO-2023018810-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2023-02-16 — — WO disclosed
WO-2022132200-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2022-06-23 — — WO disclosed
Send feedback